Mol:FL2FCANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0688 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0688 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0688 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0688 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5125 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5125 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0438 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0438 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0438 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0438 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5125 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5125 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6001 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6001 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1564 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1564 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1564 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.1564 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6001 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6001 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7125 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7125 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2795 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2795 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8465 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8465 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8465 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8465 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2795 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2795 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7125 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7125 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6001 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6001 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5125 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5125 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4133 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4133 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6550 -0.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6550 -0.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2694 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2694 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8341 -0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8341 -0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4133 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4133 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2243 -1.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2243 -1.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4260 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4260 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9260 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9260 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -1.426 0.77 | + | M SVB 1 27 -1.426 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCANI0001 | + | ID FL2FCANI0001 |
| − | KNApSAcK_ID C00008263 | + | KNApSAcK_ID C00008263 |
| − | NAME 5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone | + | NAME 5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone |
| − | CAS_RN 98621-32-0 | + | CAS_RN 98621-32-0 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c(CC=C(C)C)1)cc(O2)c(C(=O)CC(c(c3)ccc(O)c3)2)c1O | + | SMILES COc(c(CC=C(C)C)1)cc(O2)c(C(=O)CC(c(c3)ccc(O)c3)2)c1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.0688 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0688 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5125 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0438 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0438 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5125 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6001 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1564 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1564 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6001 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7125 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2795 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8465 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8465 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2795 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7125 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6001 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5125 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4133 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6550 -0.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2694 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8341 -0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4133 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2243 -1.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4260 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9260 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.426 0.77
S SKP 8
ID FL2FCANI0001
KNApSAcK_ID C00008263
NAME 5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone
CAS_RN 98621-32-0
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c(CC=C(C)C)1)cc(O2)c(C(=O)CC(c(c3)ccc(O)c3)2)c1O
M END
